azepan-1-yl-[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methanone Formula: C17H20ClN3O MolecularWeight: 317.8132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C17H20ClN3O/c18-16-11-19-21(13-16)12-14-5-7-15(8-6-14)17(22)20-9-3-1-2-4-10-20/h5-8,11,13H,1-4,9-10,12H2